Ligand name: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
PDB ligand accession: 0GT
DrugBank: n/a
PubChem: 57387067
ChEMBL: CHEMBL2047898
InChI Key: OOZZVYSXZBAROL-PSUQPPDWSA-N
SMILES: CC(C)(C)c1cccc(c1)CNC2CS(=O)(=O)CC(C2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4D83	Download	Experimental	e4d83A2 e4d83A3 e4d83B2 e4d83B3 e4d83C2 e4d83C3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3VG1	Download	Experimental	e3vg1A2 e3vg1A3	cradle loop barrel cradle loop barrel	LigPlot